methyl (1S,3S)-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: methyl (1S,3S)-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1S,3S)-1-(3-pyridyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-(3-pyridyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C([NH2+]1)C3=CN=CC=C3)NC4=CC=CC=C24

Isomeric SMILES

COC(=O)[C@@H]1CC2=C([C@@H]([NH2+]1)C3=CN=CC=C3)NC4=CC=CC=C24

InChI

InChI=1S/C18H17N3O2/c1-23-18(22)15-9-13-12-6-2-3-7-14(12)20-17(13)16(21-15)11-5-4-8-19-10-11/h2-8,10,15-16,20-21H,9H2,1H3/p+1/t15-,16-/m0/s1